2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione iodide Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)benzo[f][1,3]benzothiazole-4,9-dione iodide IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-dione iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)benzo[f][1,3]benzothiazole-4,9-quinone iodide Formula: C17H11IN2O2S MolecularWeight: 434.25091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O.[I-]

InChI

InChI=1S/C17H11N2O2S.HI/c1-19-8-6-10(7-9-19)17-18-13-14(20)11-4-2-3-5-12(11)15(21)16(13)22-17;/h2-9H,1H3;1H/q+1;/p-1